In-Silico Structure Database (LMISSD)

Common Name
CL(1'-[22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)],3'-[20:4(5Z,8Z,11Z,14Z)/14:0])
Systematic Name
1'-[1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho],3'-[1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-tetradecanoyl-sn-glycero-3-phospho]-sn-glycerol
LM ID
LMGP1201BPKH
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1468.940931
Formula
C83H138O17P2
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MDLMOL SDF CSV TSV PNG
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Main

Classification

Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphoglycerols [GP12]
Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201]

String Representations

InChiKey (Click to copy)
OLGDUAGPTHDOHA-ZNFLUIOPSA-N
InChi (Click to copy)
InChI=1S/C83H138O17P2/c1-5-9-13-17-21-25-29-32-35-37-38-40-43-45-49-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-41-34-31-27-23-19-15-11-7-3)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-47-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-48-44-42-39-36-33-30-26-22-18-14-10-6-2/h9,13,21-23,25-27,32-36,38,40-42,44-45,49,51,55-56,60,77-79,84H,5-8,10-12,14-20,24,28-31,37,39,43,46-48,50,52-54,57-59,61-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9-,25-21-,26-22-,27-23-,35-32-,36-33-,40-38-,41-34-,44-42-,49-45-,55-51-,60-56-/t77-,78+,79+/m0/s1
SMILES (Click to copy)
P(OC[C@]([H])(OC(CCCCCCC/C=C\C/C=C\CCCCC)=O)COC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)(O)(OC[C@](O)([H])COP(OC[C@]([H])(OC(=O)CCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(O)=O)=O

References

Other Databases